SCHEMBL5228912

SCHEMBL5228912

Cc1cccc(C#N)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
AR P10275 19/20 0.47
PGR P06401 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25983090 0.85 AR (0.46) TSHRARPGR
SCHEMBL13748556 0.82 TSHR (0.56) TSHRAR
SCHEMBL16951116 0.80 TSHR (0.34) TSHRAR
SCHEMBL4090283 0.78 CYP2A6 (0.43) TSHR
SCHEMBL3911267 0.78 AR (0.46) ARPGR
SCHEMBL1994873 0.78 AR (0.41) TSHRARPGR
SCHEMBL29378798 0.78 AR (0.41) TSHRARPGR
SCHEMBL13525505 0.77 AR (0.47) ARPGR
SCHEMBL16954302 0.76 AR (0.40) TSHRARPGR
SCHEMBL16960191 0.76 AR (0.40) TSHRARPGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015089634-A9 NON-STEROIDAL ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS WITH A PYRIDYL MOIETY ENDORECHERCHE, INC. (CA) 2016-01-14 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2015089634-A1 NON-STEROIDAL ANTIANDROGENS AND SELECTIVE ANDROGEN RECEPTOR MODULATORS WITH A PYRIDYL MOIETY ENDORECHERCHE, INC. (CA) 2015-06-25 WO disclosed
US-20100010093-A1 ANTIPARASITIC AGENTS PFIZER LIMITED (GB) 2010-01-14 US disclosed
US-7608604-B2 Antiparasitic agents PFIZER LIMITED (GB) 2009-10-27 US disclosed
CN-101272784-A Phenyl- and pyridinyl- 1, 2 , 4 - oxadiazolone derivatives, processes for their preparation and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-09-24 CN disclosed
US-20080194694-A1 nematocides such as N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-pentafluorothiobenzamide, tautomers or prodrugs, carriers and optionally a second therapeutic agent, used for treating parasitic infestations PFIZER LIMITED (UK) 2008-08-14 US disclosed
EP-1339701-B1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-02-14 EP disclosed
JP-2005132728-A METHOD FOR PRODUCING METHYLTRIFLUOROMETHYLBENZOIC ACID DERIVATIVE CENTRAL GLASS CO LTD 2005-05-26 JP disclosed
US-6849632-B2 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. (US) 2005-02-01 US disclosed
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. 2004-02-12 US disclosed
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives CV THERAPEUTICS, INC. 2003-11-20 US disclosed
EP-1339701-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-09-03 EP disclosed
US-6573264-B1 Protecting skeletal muscles against damage, treating shock conditions, preserving donor tissue and organs used in transplants, treating cardiovascular diseases CV THERAPEUTICS, INC. 2003-06-03 US disclosed
WO-2002064576-A1 HETEROARYL ALKYL PIPERAZINE DERIVATIVES AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2002-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194694-A1 nematocides such as N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-pentafluorothiobenzamide, tautomers or prodrugs, carriers and optionally a second therapeutic agent, used for treating parasitic infestations HRH4, HRH3, HRH2 TSHR 1063/4885AR 4573/4885PGR 3544/4885
US-20040029889-A1 Heteroaryl alkyl piperazine derivatives as fatty acid oxidation inhibitors CPT1B, CPT1A, ALOX15 TSHR 4541/4885AR 2560/4885PGR 4588/4885
US-20030216409-A1 Heteroaryl alkyl piperazine derivatives ATP2A1, CPT1B, ATP2A3 TSHR 4265/4885AR 2565/4885PGR 4681/4885
US-20100010093-A1 ANTIPARASITIC AGENTS HRH3, CYTH3, HRH4 TSHR 1340/4885AR 4729/4885PGR 3222/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.